input word = C00039318

Metabolite InformationStructural formula
Name Gypsin A
Formula C35H49N7O6
Mw 663.37443235
CAS RN 1039076-65-7
C_ID C00039318 ,
InChIKey ATTPAVZICRNMOF-UHFFFAOYNA-N
InChICode InChI=1S/C35H49N7O6/c1-5-20(3)29-33(46)38-25(17-22-18-36-24-12-8-7-11-23(22)24)34(47)41-15-9-13-26(41)31(44)37-19-28(43)39-30(21(4)6-2)35(48)42-16-10-14-27(42)32(45)40-29/h7-8,11-12,18,20-21,25-27,29-30,36H,5-6,9-10,13-17,19H2,1-4H3,(H,37,44)(H,38,46)(H,39,43)(H,40,45)/t20-,21-,25+,26-,27-,29-,30-/m0/s1
SMILES [C@@H]12N(C(=O)[C@@H](NC(=O)CNC(=O)[C@H]3N(C(=O)[C@H](NC(=O)[C@@H](NC1=O)[C@@H](C)CC)Cc1c4c([nH]c1)cccc4)CCC3)[C@@H](C)CC)CCC2
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeGypsophila arabica Ref.
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